3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C15H20N6O — CID 126592159

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C(C)(C)C)on2)c2c(N)ncnc21
InChIInChI=1S/C15H20N6O/c1-8(2)21-14-11(13(16)17-7-18-14)12(19-21)9-6-10(22-20-9)15(3,4)5/h6-8H,1-5H3,(H2,16,17,18)
InChIKeyPVILOETVWWGWOA-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.94
Rot. Bonds2

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 126592159) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID126592159
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2cc(C(C)(C)C)on2)c2c(N)ncnc21
InChIInChI=1S/C15H20N6O/c1-8(2)21-14-11(13(16)17-7-18-14)12(19-21)9-6-10(22-20-9)15(3,4)5/h6-8H,1-5H3,(H2,16,17,18)
InChIKeyPVILOETVWWGWOA-UHFFFAOYSA-N
XLogP2.94
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 126592159) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc(C(C)(C)C)on2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PVILOETVWWGWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-8(2)21-14-11(13(16)17-7-18-14)12(19-21)9-6-10(22-20-9)15(3,4)5/h6-8H,1-5H3,(H2,16,17,18).
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126592159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).